F294-0993 Screening compound: 5-(4-ethylbenzenesulfonamido)-2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}benzoic acid

F294-0993 Screening compound: 5-(4-ethylbenzenesulfonamido)-2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}benzoic acid
F294-0993 Screening compound: 5-(4-ethylbenzenesulfonamido)-2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F294-0993
5-(4-ethylbenzenesulfonamido)-2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}benzoic acid

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

F294-0993

Molecular Formula

C25H33N3O4S (C25 H33 N3 O4 S)

Compound Name

5-(4-ethylbenzenesulfonamido)-2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}benzoic acid

IUPAC name

5-(4-ethylbenzenesulfonamido)-2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}benzoic acid

SMILES

CCc(cc1)ccc1S(Nc(cc1)cc(C(O)=O)c1N1CC(CN2CCCC2)CCC1)(=O)=O

InChI

InChI=1S/C25H33N3O4S/c1-2-19-7-10-22(11-8-19)33(31,32)26-21-9-12-24(23(16-21)25(29)30)28-15-5-6-20(18-28)17-27-13-3-4-14-27/h7-12,16,20,26H,2-6,13-15,17-18H2,1H3,(H,29,30)/t20-/m1/s1

InChI Key

BECWUHXCHMTAJK-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD27113471

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

471.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.625

Distribution Coefficient, logD

4.625

Water Solubility, LogSw

-4.28

Polar Surface Area

76.480

Acid Dissociation Constant (pKa)

5.29

Base Dissociation Constant (pKb)

8.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

F294-0993 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with F294-0993 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F294-0993?
Check Price and Availability of F294-0993, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F294-0993 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F294-0993
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F294-0993
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of F294-0993 available by request